(2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate

C72H76Br2F16N16O9S — CID 161151321

IUPAC(2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate
SMILESC=Cc1ccc(C(F)F)nc1.CC[C@@H](N=[N+]=[N-])c1ccc(C(F)F)nc1.CC[C@H](O)c1ccc(C(F)F)nc1.CC[C@H](OS(C)(=O)=O)c1ccc(C(F)F)nc1.FC(F)c1ccc(Br)cn1.N[C@H](CO)c1ccc(C(F)F)nc1.O=Cc1ccc(Br)cn1.OC[C@H](O)c1ccc(C(F)F)nc1.[N-]=[N+]=N[C@H](CO)c1ccc(C(F)F)nc1
InChIInChI=1S/C10H13F2NO3S.C9H10F2N4.C9H11F2NO.C8H8F2N4O.C8H10F2N2O.C8H9F2NO2.C8H7F2N.C6H4BrF2N.C6H4BrNO/c1-3-9(16-17(2,14)15)7-4-5-8(10(11)12)13-6-7;1-2-7(14-15-12)6-3-4-8(9(10)11)13-5-6;1-2-8(13)6-3-4-7(9(10)11)12-5-6;9-8(10)6-2-1-5(3-12-6)7(4-15)13-14-11;9-8(10)7-2-1-5(3-12-7)6(11)4-13;9-8(10)6-2-1-5(3-11-6)7(13)4-12;1-2-6-3-4-7(8(9)10)11-5-6;7-4-1-2-5(6(8)9)10-3-4;7-5-1-2-6(4-9)8-3-5/h4-6,9-10H,3H2,1-2H3;3-5,7,9H,2H2,1H3;3-5,8-9,13H,2H2,1H3;1-3,7-8,15H,4H2;1-3,6,8,13H,4,11H2;1-3,7-8,12-13H,4H2;2-5,8H,1H2;1-3,6H;1-4H/t9-;7-;8-;7-;6-;7-;;;/m010110.../s1
InChIKeyUOSGFOZUFCGSAG-HSQKEXHKSA-N
MW1805.35 g/mol
LogP20.21
Rot. Bonds26

About (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate

(2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate (PubChem CID 161151321) has the molecular formula C72H76Br2F16N16O9S and a molecular weight of 1805.35 g/mol. Its IUPAC name is (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate.

Molecular Properties

Compound Name(2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate
PubChem CID161151321
Molecular FormulaC72H76Br2F16N16O9S
Molecular Weight1805.35 g/mol
Exact Mass1802.38
IUPAC Name(2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate
SMILESC=Cc1ccc(C(F)F)nc1.CC[C@@H](N=[N+]=[N-])c1ccc(C(F)F)nc1.CC[C@H](O)c1ccc(C(F)F)nc1.CC[C@H](OS(C)(=O)=O)c1ccc(C(F)F)nc1.FC(F)c1ccc(Br)cn1.N[C@H](CO)c1ccc(C(F)F)nc1.O=Cc1ccc(Br)cn1.OC[C@H](O)c1ccc(C(F)F)nc1.[N-]=[N+]=N[C@H](CO)c1ccc(C(F)F)nc1
InChIInChI=1S/C10H13F2NO3S.C9H10F2N4.C9H11F2NO.C8H8F2N4O.C8H10F2N2O.C8H9F2NO2.C8H7F2N.C6H4BrF2N.C6H4BrNO/c1-3-9(16-17(2,14)15)7-4-5-8(10(11)12)13-6-7;1-2-7(14-15-12)6-3-4-8(9(10)11)13-5-6;1-2-8(13)6-3-4-7(9(10)11)12-5-6;9-8(10)6-2-1-5(3-12-6)7(4-15)13-14-11;9-8(10)7-2-1-5(3-12-7)6(11)4-13;9-8(10)6-2-1-5(3-11-6)7(13)4-12;1-2-6-3-4-7(8(9)10)11-5-6;7-4-1-2-5(6(8)9)10-3-4;7-5-1-2-6(4-9)8-3-5/h4-6,9-10H,3H2,1-2H3;3-5,7,9H,2H2,1H3;3-5,8-9,13H,2H2,1H3;1-3,7-8,15H,4H2;1-3,6,8,13H,4,11H2;1-3,7-8,12-13H,4H2;2-5,8H,1H2;1-3,6H;1-4H/t9-;7-;8-;7-;6-;7-;;;/m010110.../s1
InChIKeyUOSGFOZUFCGSAG-HSQKEXHKSA-N
XLogP20.21
TPSA401.14 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.35
LogP ≤ 520.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate with MolForge

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Related Compounds

(2S)-2-amino-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(trifluoromethyl)-3-pyridinyl]ethanol;5-ethenyl-2-(trifluoromethyl)pyridine;5-[(2R)-oxiran-2-yl]-2-(trifluoromethyl)pyridine;6-(trifluoromethyl)pyridine-3-carbaldehyde;(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 161303856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate?
The IUPAC name of (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate (CID 161151321) is (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate.
What is the SMILES notation for (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate?
The canonical SMILES for (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate is C=Cc1ccc(C(F)F)nc1.CC[C@@H](N=[N+]=[N-])c1ccc(C(F)F)nc1.CC[C@H](O)c1ccc(C(F)F)nc1.CC[C@H](OS(C)(=O)=O)c1ccc(C(F)F)nc1.FC(F)c1ccc(Br)cn1.N[C@H](CO)c1ccc(C(F)F)nc1.O=Cc1ccc(Br)cn1.OC[C@H](O)c1ccc(C(F)F)nc1.[N-]=[N+]=N[C@H](CO)c1ccc(C(F)F)nc1.
What is the InChIKey of (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate?
The InChIKey is UOSGFOZUFCGSAG-HSQKEXHKSA-N. The full InChI is InChI=1S/C10H13F2NO3S.C9H10F2N4.C9H11F2NO.C8H8F2N4O.C8H10F2N2O.C8H9F2NO2.C8H7F2N.C6H4BrF2N.C6H4BrNO/c1-3-9(16-17(2,14)15)7-4-5-8(10(11)12)13-6-7;1-2-7(14-15-12)6-3-4-8(9(10)11)13-5-6;1-2-8(13)6-3-4-7(9(10)11)12-5-6;9-8(10)6-2-1-5(3-12-6)7(4-15)13-14-11;9-8(10)7-2-1-5(3-12-7)6(11)4-13;9-8(10)6-2-1-5(3-11-6)7(13)4-12;1-2-6-3-4-7(8(9)10)11-5-6;7-4-1-2-5(6(8)9)10-3-4;7-5-1-2-6(4-9)8-3-5/h4-6,9-10H,3H2,1-2H3;3-5,7,9H,2H2,1H3;3-5,8-9,13H,2H2,1H3;1-3,7-8,15H,4H2;1-3,6,8,13H,4,11H2;1-3,7-8,12-13H,4H2;2-5,8H,1H2;1-3,6H;1-4H/t9-;7-;8-;7-;6-;7-;;;/m010110.../s1.
What are the key properties of (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate?
(2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate has a molecular weight of 1805.35 g/mol, XLogP of 20.21, 26 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;(2S)-2-azido-2-[6-(difluoromethyl)-3-pyridinyl]ethanol;5-[(1R)-1-azidopropyl]-2-(difluoromethyl)pyridine;5-bromo-2-(difluoromethyl)pyridine;5-bromopyridine-2-carbaldehyde;2-(difluoromethyl)-5-ethenylpyridine;(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethane-1,2-diol;(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propan-1-ol;[(1S)-1-[6-(difluoromethyl)-3-pyridinyl]propyl] methanesulfonate is sourced from PubChem (CID 161151321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).